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2,8,9-Tris(2-methyl-prop-yl)-2,5,8,9-tetra-aza-1λ(5)-phosphatricyclo-[3.3.3.0(1,5)]undecan-5-ium chloride dihydrate.

ABSTRACT: The asymmetric unit of the title hydrated salt, C18H40N4P(+)·Cl(-)·2H2O, consists of two ionic mol-ecules and four water mol-ecules. The mol-ecular geometry around the penta-coordinate P atom is trigonal-bipyramidal, with a H atom and an apical N atom in axial positions and three N atoms with isobutyl substituents in equatorial positions. The Cl(-) ions and water mol-ecules are connected via O-H⋯Cl hydrogen bonds, forming chains along [100]. The ethyl-ene bridging groups are disordered with refined site-occupancy ratios of 0.578 (9):0.422 (9).

SUBMITTER: Lee J

PROVIDER: S-EPMC3588925 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

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2,8,9-Tris(2-methyl-prop-yl)-2,5,8,9-tetra-aza-1λ(5)-phosphatricyclo-[3.3.3.0(1,5)]undecan-5-ium chloride dihydrate.

Lee Junseong J Kim Youngjo Y

Acta crystallographica. Section E, Structure reports online 20121110 Pt 12

The asymmetric unit of the title hydrated salt, C18H40N4P(+)·Cl(-)·2H2O, consists of two ionic mol-ecules and four water mol-ecules. The mol-ecular geometry around the penta-coordinate P atom is trigonal-bipyramidal, with a H atom and an apical N atom in axial positions and three N atoms with isobutyl substituents in equatorial positions. The Cl(-) ions and water mol-ecules are connected via O-H⋯Cl hydrogen bonds, forming chains along [100]. The ethyl-ene bridging groups are disordered with refi ...[more]

PMID: 23476161

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